#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtt n SER 2 N 0.00 1.85 0.00 1.61 7.64 -1.26 -5.01 113.62 118.45 1qtt n SER 2 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1qtt n SER 2 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1qtt n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1qtt n MET 3 N -4.33 0.00 -2.10 1.43 2.00 -1.26 -5.16 117.12 107.71 1qtt n MET 3 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.15 1qtt n MET 3 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.79 1qtt n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qtt s ALA 4 N 0.00 2.60 -0.12 3.04 0.00 -1.26 -4.47 121.76 121.55 1qtt s ALA 4 Ca 0.00 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1qtt s ALA 4 Cb 0.00 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1qtt s ALA 4 CO 0.00 -1.00 0.17 0.41 0.00 0.00 0.00 175.76 175.34 1qtt n GLY 5 N 0.23 -3.83 3.63 0.00 0.00 -1.26 -5.06 105.19 98.91 1qtt n GLY 5 Ca 0.12 1.22 -0.03 0.00 0.00 0.00 0.00 46.02 47.33 1qtt n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qtt s GLU 6 N -0.47 0.46 0.65 1.61 2.56 -1.26 -5.16 118.70 117.09 1qtt s GLU 6 Ca -0.19 0.82 -0.15 0.00 0.00 0.00 0.00 54.97 55.44 1qtt s GLU 6 Cb 0.01 0.13 -0.00 0.00 2.00 0.00 0.00 34.13 36.27 1qtt s GLU 6 CO 0.52 -0.10 1.12 -0.51 -0.56 0.00 0.00 175.26 175.73 1qtt s ASP 7 N 1.51 5.12 0.99 -1.70 -0.00 -1.26 -4.82 116.67 116.51 1qtt s ASP 7 Ca -0.09 2.03 -0.17 0.00 -0.00 0.00 0.00 52.55 54.32 1qtt s ASP 7 Cb -0.04 -2.56 -0.10 0.00 -0.00 0.00 0.00 42.92 40.22 1qtt s ASP 7 CO -0.16 -1.62 -0.57 0.52 -0.00 0.00 0.00 175.17 173.33 1qtt n VAL 8 N -2.33 0.00 -2.03 -1.27 0.31 -1.26 -4.78 118.33 106.97 1qtt n VAL 8 Ca 0.11 -0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 64.07 1qtt n VAL 8 Cb 0.52 -0.18 -0.01 0.00 -0.91 0.00 0.00 33.84 33.26 1qtt n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qtt n GLY 9 N 2.95 0.81 3.10 2.92 0.00 -1.26 -4.79 105.19 108.91 1qtt n GLY 9 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qtt n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qtt s ALA 10 N 0.00 -2.39 0.99 4.61 0.00 -1.26 -5.16 121.76 118.55 1qtt s ALA 10 Ca 0.02 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 1qtt s ALA 10 Cb 0.02 -2.74 0.19 0.00 0.00 0.00 0.00 23.12 20.59 1qtt s ALA 10 CO -0.01 -2.23 1.17 -1.25 0.00 0.00 0.00 175.76 173.44 1qtt s PRO 11 N 1.65 0.49 -0.81 0.00 0.04 -1.26 -4.93 135.00 130.17 1qtt s PRO 11 Ca 0.19 0.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.03 1qtt s PRO 11 Cb -0.03 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1qtt s PRO 11 CO -0.07 -2.59 1.63 -1.25 0.04 0.00 0.00 177.00 174.76 1qtt s PRO 12 N -5.44 2.99 0.57 0.56 0.04 -1.26 -4.81 135.00 127.65 1qtt s PRO 12 Ca 0.68 -0.25 0.39 0.00 0.04 0.00 0.00 61.00 61.86 1qtt s PRO 12 Cb -0.11 -4.73 1.43 0.00 0.04 0.00 0.00 34.50 31.13 1qtt s PRO 12 CO 0.54 -2.60 1.56 0.22 0.04 0.00 0.00 177.00 176.75 1qtt h ASP 13 N 11.54 0.00 -4.62 6.66 3.58 -1.95 -3.39 116.42 128.24 1qtt h ASP 13 Ca -0.07 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.28 1qtt h ASP 13 Cb 1.06 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.90 1qtt h ASP 13 CO 1.28 0.00 -0.13 -1.38 -2.88 0.00 0.00 179.24 176.14 1qtt s HIS 14 N -4.72 -0.41 0.04 0.28 -3.43 -1.26 -0.05 115.29 105.74 1qtt s HIS 14 Ca -0.04 0.81 0.06 0.00 -0.80 0.00 0.00 55.06 55.09 1qtt s HIS 14 Cb 0.21 0.20 -0.02 0.00 -1.43 0.00 0.00 32.58 31.54 1qtt s HIS 14 CO 0.72 -0.39 -0.17 -0.51 -2.00 0.00 0.00 174.74 172.38 1qtt s LEU 15 N -0.76 2.17 -0.19 5.38 1.43 -1.11 -3.73 118.68 121.86 1qtt s LEU 15 Ca -0.08 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1qtt s LEU 15 Cb -0.03 -0.78 0.05 0.00 0.03 0.00 0.00 46.19 45.46 1qtt s LEU 15 CO 0.04 0.09 -0.02 0.26 0.23 0.00 0.00 176.35 176.95 1qtt s TRP 16 N -0.82 1.65 -0.16 0.29 0.51 0.52 -1.81 118.94 119.11 1qtt s TRP 16 Ca 0.04 -1.17 -0.29 0.00 -2.12 0.00 0.00 56.10 52.57 1qtt s TRP 16 Cb -0.08 -1.28 -0.03 0.00 -0.81 0.00 0.00 33.47 31.27 1qtt s TRP 16 CO 0.02 -0.65 1.43 0.54 -0.51 0.00 0.00 176.95 177.78 1qtt s VAL 17 N 1.65 3.98 -0.05 4.03 0.11 -1.15 0.17 120.40 129.14 1qtt s VAL 17 Ca -0.01 1.16 0.03 0.00 -2.93 0.00 0.00 61.98 60.22 1qtt s VAL 17 Cb -0.17 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.81 1qtt s VAL 17 CO -0.07 -0.19 -0.00 1.57 -3.33 0.00 0.00 175.10 173.08 1qtt n HIS 18 N 7.20 0.00 -4.30 1.54 -0.00 -0.97 -4.95 115.22 113.74 1qtt n HIS 18 Ca 0.16 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.17 1qtt n HIS 18 Cb 0.45 -0.23 -0.10 0.00 -0.12 0.00 0.00 29.99 29.99 1qtt n HIS 18 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1qtt s GLN 19 N -2.11 1.21 -0.31 1.57 -0.21 -1.21 -3.74 119.66 114.85 1qtt s GLN 19 Ca -0.04 -1.52 -0.33 0.00 0.02 0.00 0.00 55.36 53.49 1qtt s GLN 19 Cb 0.02 -0.91 -0.10 0.00 1.00 0.00 0.00 33.01 33.02 1qtt s GLN 19 CO 0.17 0.14 2.20 -1.91 -2.12 0.00 0.00 175.29 173.78 1qtt n GLU 20 N -0.27 1.32 -1.15 2.91 2.13 -1.26 0.13 120.64 124.45 1qtt n GLU 20 Ca -0.09 0.35 -0.05 0.00 0.66 0.00 0.00 57.16 58.03 1qtt n GLU 20 Cb 0.60 -2.68 -0.02 0.00 0.27 0.00 0.00 31.44 29.61 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qtt n GLY 21 N 6.34 0.77 3.31 8.31 0.00 -1.26 -4.93 105.19 117.72 1qtt n GLY 21 Ca 0.38 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1qtt n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 22 N -2.10 2.06 0.06 -0.61 1.09 0.34 0.17 121.20 122.22 1qtt s ILE 22 Ca 0.00 -1.14 0.02 0.00 -1.10 0.00 0.00 60.65 58.43 1qtt s ILE 22 Cb 0.00 -1.72 -0.03 0.00 -1.06 0.00 0.00 42.46 39.65 1qtt s ILE 22 CO 0.00 0.55 -0.07 -0.31 -0.10 0.00 0.00 174.94 175.01 1qtt s TYR 23 N -0.63 0.76 -0.12 3.97 2.02 0.39 -2.29 117.35 121.45 1qtt s TYR 23 Ca 0.10 -0.65 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 1qtt s TYR 23 Cb -0.10 -0.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1qtt s TYR 23 CO -0.01 -0.11 -0.03 0.50 -1.57 0.00 0.00 175.55 174.33 1qtt s ARG 24 N -2.42 3.32 0.77 -0.62 3.52 0.45 0.26 118.95 124.23 1qtt s ARG 24 Ca -0.02 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1qtt s ARG 24 Cb -0.04 -2.82 0.16 0.00 -1.56 0.00 0.00 34.95 30.69 1qtt s ARG 24 CO -0.02 0.44 1.05 -3.47 -0.81 0.00 0.00 175.30 172.50 1qtt n ASP 25 N 2.92 0.77 -1.35 -2.12 -0.08 0.22 -0.36 116.55 116.56 1qtt n ASP 25 Ca -0.18 -1.80 0.03 0.00 -1.51 0.00 0.00 54.79 51.33 1qtt n ASP 25 Cb 0.53 -0.74 0.23 0.00 2.34 0.00 0.00 41.12 43.48 1qtt n ASP 25 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1qtt n GLU 26 N -3.08 3.20 -2.72 -0.67 0.28 -1.24 -3.96 120.64 112.44 1qtt n GLU 26 Ca 0.15 -1.85 -0.05 0.00 -0.16 0.00 0.00 57.16 55.26 1qtt n GLU 26 Cb 0.54 -1.94 0.08 0.00 1.43 0.00 0.00 31.44 31.55 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1qtt n TYR 27 N 0.31 -0.30 -4.04 -1.84 4.01 -1.26 -4.98 117.16 109.06 1qtt n TYR 27 Ca 0.18 -2.19 -0.30 0.00 -0.16 0.00 0.00 57.90 55.43 1qtt n TYR 27 Cb 0.84 0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 40.36 1qtt n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qtt n GLN 28 N -0.64 -3.43 -3.99 -0.72 10.64 -1.25 -4.94 117.38 113.04 1qtt n GLN 28 Ca 0.00 0.41 -0.30 0.00 -1.83 0.00 0.00 57.00 55.28 1qtt n GLN 28 Cb 0.83 -4.80 -0.16 0.00 -0.86 0.00 0.00 30.24 25.26 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1qtt s ARG 29 N -6.69 1.95 0.52 2.61 0.52 -1.26 -4.95 118.95 111.64 1qtt s ARG 29 Ca 0.31 -0.88 -0.19 0.00 -0.52 0.00 0.00 55.73 54.45 1qtt s ARG 29 Cb -0.17 -2.45 -0.07 0.00 0.52 0.00 0.00 34.95 32.78 1qtt s ARG 29 CO 0.90 -0.46 1.05 0.95 0.02 0.00 0.00 175.30 177.76 1qtt s THR 30 N 1.39 3.72 0.03 0.02 -4.23 -1.26 0.70 115.64 116.00 1qtt s THR 30 Ca -0.02 1.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.53 1qtt s THR 30 Cb -0.17 -3.41 -0.02 0.00 1.34 0.00 0.00 72.50 70.24 1qtt s THR 30 CO -0.08 -0.29 -0.11 0.26 -0.54 0.00 0.00 174.62 173.86 1qtt s TRP 31 N -2.07 0.99 -0.60 3.99 0.52 0.72 -3.23 118.94 119.26 1qtt s TRP 31 Ca 0.67 -0.32 -0.06 0.00 0.02 0.00 0.00 56.10 56.41 1qtt s TRP 31 Cb -0.17 -0.60 0.16 0.00 -1.15 0.00 0.00 33.47 31.71 1qtt s TRP 31 CO 0.25 0.00 0.45 0.08 0.02 0.00 0.00 176.95 177.75 1qtt s VAL 32 N -0.76 4.08 -0.93 4.03 1.01 0.59 0.15 120.40 128.56 1qtt s VAL 32 Ca -0.00 -2.53 -0.23 0.00 0.00 0.00 0.00 61.98 59.22 1qtt s VAL 32 Cb -0.07 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1qtt s VAL 32 CO 0.01 -0.86 1.34 0.00 0.00 0.00 0.00 175.10 175.59 1qtt s ALA 33 N 0.41 2.84 -0.93 5.51 0.00 0.46 -0.80 121.76 129.25 1qtt s ALA 33 Ca 0.14 -2.14 -0.23 0.00 0.00 0.00 0.00 51.96 49.73 1qtt s ALA 33 Cb -0.20 -4.37 0.06 0.00 0.00 0.00 0.00 23.12 18.62 1qtt s ALA 33 CO -0.04 -3.41 1.33 0.08 0.00 0.00 0.00 175.76 173.72 1qtt s VAL 34 N 4.73 4.07 -0.33 0.00 1.01 0.35 -4.40 120.40 125.83 1qtt s VAL 34 Ca 0.40 -0.70 -0.33 0.00 0.00 0.00 0.00 61.98 61.36 1qtt s VAL 34 Cb -0.03 -4.96 -0.10 0.00 0.00 0.00 0.00 36.38 31.29 1qtt s VAL 34 CO -0.04 -1.81 2.22 0.55 0.00 0.00 0.00 175.10 176.02 1qtt n VAL 35 N 6.48 0.22 -3.88 2.92 3.14 -1.26 -1.89 118.33 124.05 1qtt n VAL 35 Ca 0.24 -0.33 -0.31 0.00 -2.96 0.00 0.00 64.34 60.97 1qtt n VAL 35 Cb 0.50 -1.94 -0.12 0.00 -1.06 0.00 0.00 33.84 31.22 1qtt n VAL 35 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1qtt s GLU 36 N 6.38 2.23 -0.15 1.45 -6.30 0.10 -4.95 118.70 117.46 1qtt s GLU 36 Ca 1.07 -2.76 -0.38 0.00 -2.50 0.00 0.00 54.97 50.40 1qtt s GLU 36 Cb -0.69 -3.45 -0.15 0.00 0.00 0.00 0.00 34.13 29.85 1qtt s GLU 36 CO 0.44 -1.16 1.71 0.39 0.02 0.00 0.00 175.26 176.67 1qtt n GLU 37 N 2.95 1.48 -1.38 4.30 4.71 -1.26 -3.49 120.64 127.94 1qtt n GLU 37 Ca 0.09 0.54 -0.30 0.00 -0.01 0.00 0.00 57.16 57.48 1qtt n GLU 37 Cb 0.34 -2.26 0.11 0.00 -1.01 0.00 0.00 31.44 28.61 1qtt n GLU 37 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1qtt s GLU 38 N 3.09 1.83 0.36 3.49 0.41 0.33 -4.90 118.70 123.32 1qtt s GLU 38 Ca 0.94 0.79 0.14 0.00 -0.41 0.00 0.00 54.97 56.43 1qtt s GLU 38 Cb -0.93 -1.88 1.00 0.00 -1.78 0.00 0.00 34.13 30.54 1qtt s GLU 38 CO 0.58 -1.84 1.76 1.15 -0.49 0.00 0.00 175.26 176.42 1qtt h THR 39 N -1.25 0.55 -0.15 3.63 2.02 -2.00 -3.09 112.91 112.60 1qtt h THR 39 Ca -0.47 -0.17 -0.19 0.00 0.77 0.00 0.00 66.41 66.35 1qtt h THR 39 Cb 1.27 0.01 -0.26 0.00 -1.74 0.00 0.00 68.15 67.43 1qtt h THR 39 CO 0.56 0.09 -0.66 -0.24 0.37 0.00 0.00 175.52 175.65 1qtt n SER 40 N -4.72 -0.07 -1.22 4.18 2.88 -1.26 -5.12 113.62 108.29 1qtt n SER 40 Ca 0.26 -2.10 -0.01 0.00 -1.33 0.00 0.00 58.87 55.69 1qtt n SER 40 Cb 0.81 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1qtt n SER 40 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1qtt n PHE 41 N -0.81 -1.11 -5.05 0.66 3.72 -1.17 -5.03 117.46 108.67 1qtt n PHE 41 Ca -0.08 -0.22 -0.31 0.00 -0.05 0.00 0.00 57.45 56.80 1qtt n PHE 41 Cb 0.86 0.11 -0.15 0.00 -0.94 0.00 0.00 39.48 39.36 1qtt n PHE 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qtt s LEU 42 N 0.00 2.26 -0.05 4.37 1.02 -1.12 -0.51 118.68 124.65 1qtt s LEU 42 Ca 0.02 -0.46 -0.17 0.00 0.02 0.00 0.00 54.13 53.54 1qtt s LEU 42 Cb -0.01 -1.38 0.03 0.00 0.02 0.00 0.00 46.19 44.86 1qtt s LEU 42 CO 0.01 0.30 0.39 -0.60 0.02 0.00 0.00 176.35 176.47 1qtt s ARG 43 N -0.91 0.68 -0.25 1.70 3.52 -1.23 -0.08 118.95 122.38 1qtt s ARG 43 Ca 0.11 0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.74 1qtt s ARG 43 Cb -0.10 0.31 0.09 0.00 -1.56 0.00 0.00 34.95 33.68 1qtt s ARG 43 CO 0.01 -0.17 0.11 0.00 -0.81 0.00 0.00 175.30 174.44 1qtt s ALA 44 N -0.92 0.57 -0.48 6.12 0.00 0.20 0.02 121.76 127.28 1qtt s ALA 44 Ca -0.10 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 1qtt s ALA 44 Cb -0.04 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.82 1qtt s ALA 44 CO 0.04 -1.48 1.50 0.50 0.00 0.00 0.00 175.76 176.32 1qtt s ARG 45 N 2.10 3.36 -0.45 0.00 3.52 -0.79 -1.76 118.95 124.92 1qtt s ARG 45 Ca 0.07 0.77 -0.20 0.00 -0.13 0.00 0.00 55.73 56.24 1qtt s ARG 45 Cb -0.16 -4.12 0.03 0.00 -1.56 0.00 0.00 34.95 29.14 1qtt s ARG 45 CO -0.27 -1.85 0.61 0.08 -0.81 0.00 0.00 175.30 173.06 1qtt s VAL 46 N 6.16 4.87 -0.14 7.11 1.01 0.64 0.13 120.40 140.19 1qtt s VAL 46 Ca 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1qtt s VAL 46 Cb -0.13 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1qtt s VAL 46 CO 0.29 -0.61 -0.09 -1.58 0.00 0.00 0.00 175.10 173.11 1qtt s GLN 47 N 2.69 3.49 -0.23 2.72 0.74 0.02 0.24 119.66 129.34 1qtt s GLN 47 Ca 0.20 -0.61 -0.22 0.00 0.05 0.00 0.00 55.36 54.77 1qtt s GLN 47 Cb -0.15 -2.75 -0.02 0.00 1.10 0.00 0.00 33.01 31.20 1qtt s GLN 47 CO 0.17 0.24 0.72 -1.14 -0.55 0.00 0.00 175.29 174.73 1qtt s GLN 48 N 0.32 4.18 0.13 1.67 -0.44 0.11 0.22 119.66 125.85 1qtt s GLN 48 Ca -0.08 0.76 -0.08 0.00 -2.50 0.00 0.00 55.36 53.46 1qtt s GLN 48 Cb -0.15 -3.62 -0.01 0.00 -1.64 0.00 0.00 33.01 27.59 1qtt s GLN 48 CO 0.04 -0.39 0.23 0.96 0.50 0.00 0.00 175.29 176.63 1qtt s ILE 49 N 2.42 0.10 -0.65 -2.34 -0.00 -1.20 -4.20 121.20 115.34 1qtt s ILE 49 Ca 0.31 -1.36 -0.24 0.00 -0.00 0.00 0.00 60.65 59.37 1qtt s ILE 49 Cb -0.16 -1.66 0.06 0.00 -0.00 0.00 0.00 42.46 40.69 1qtt s ILE 49 CO 0.09 -0.45 1.02 -1.10 -0.00 0.00 0.00 174.94 174.50 1qtt s GLN 50 N -3.93 3.18 -0.04 0.37 1.11 -1.26 -4.32 119.66 114.76 1qtt s GLN 50 Ca 0.13 -0.58 -0.04 0.00 0.01 0.00 0.00 55.36 54.88 1qtt s GLN 50 Cb 0.04 -4.18 0.01 0.00 -1.01 0.00 0.00 33.01 27.88 1qtt s GLN 50 CO -0.04 -1.80 0.12 0.54 0.01 0.00 0.00 175.29 174.11 1qtt s VAL 51 N 4.36 0.01 0.91 1.09 0.11 -1.26 -5.14 120.40 120.47 1qtt s VAL 51 Ca 0.27 -0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 1qtt s VAL 51 Cb -0.14 -0.18 0.14 0.00 -1.53 0.00 0.00 36.38 34.66 1qtt s VAL 51 CO 0.13 -0.03 1.14 -2.16 -3.33 0.00 0.00 175.10 170.85 1qtt s PRO 52 N -0.03 1.18 0.14 1.54 0.04 -1.26 -4.80 135.00 131.82 1qtt s PRO 52 Ca -0.01 0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.37 1qtt s PRO 52 Cb -0.01 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1qtt s PRO 52 CO 0.00 -2.17 -0.10 -0.51 0.04 0.00 0.00 177.00 174.26 1qtt s LEU 53 N -6.02 2.52 0.00 -3.56 1.43 -1.26 -5.04 118.68 106.76 1qtt s LEU 53 Ca 0.64 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1qtt s LEU 53 Cb -0.15 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1qtt s LEU 53 CO 0.53 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1qtt n GLY 54 N -0.14 -1.99 3.63 -3.19 0.00 -1.26 -5.10 105.19 97.14 1qtt n GLY 54 Ca -0.11 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 1qtt n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qtt s ASP 55 N -1.01 6.17 -0.35 1.61 1.11 -1.26 -4.85 116.67 118.09 1qtt s ASP 55 Ca 0.00 1.94 0.06 0.00 0.18 0.00 0.00 52.55 54.73 1qtt s ASP 55 Cb 0.00 -2.53 0.45 0.00 1.07 0.00 0.00 42.92 41.91 1qtt s ASP 55 CO 0.00 -1.38 1.24 0.00 1.18 0.00 0.00 175.17 176.22 1qtt n ALA 56 N 9.01 5.14 -1.13 5.23 0.00 -1.25 -4.12 120.51 133.40 1qtt n ALA 56 Ca 0.22 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1qtt n ALA 56 Cb 0.44 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1qtt n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtt n ALA 57 N -0.68 0.00 -3.19 0.00 0.00 -1.26 -5.03 120.51 110.36 1qtt n ALA 57 Ca 0.45 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 1qtt n ALA 57 Cb 0.88 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.28 1qtt n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qtt n ARG 58 N 0.00 1.61 0.00 0.00 1.74 -1.26 -4.93 116.66 113.82 1qtt n ARG 58 Ca 0.00 -3.85 0.00 0.00 -0.77 0.00 0.00 57.85 53.23 1qtt n ARG 58 Cb 0.00 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1qtt n ARG 58 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qtt n PRO 59 N 0.64 0.00 -0.00 5.56 -0.04 -1.26 -2.56 135.00 137.34 1qtt n PRO 59 Ca 0.26 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.95 1qtt n PRO 59 Cb 0.52 -0.21 0.63 0.00 -0.04 0.00 0.00 33.50 34.40 1qtt n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qtt h SER 60 N 0.00 0.00 -0.27 3.54 4.64 -1.92 1.71 113.55 121.26 1qtt h SER 60 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1qtt h SER 60 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1qtt h SER 60 CO 0.00 0.00 0.10 0.45 -0.87 0.00 0.00 176.83 176.51 1qtt h HIS 61 N 0.00 0.42 0.00 4.77 3.86 -1.93 1.70 115.15 123.98 1qtt h HIS 61 Ca 0.29 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 1qtt h HIS 61 Cb 1.74 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 30.08 1qtt h HIS 61 CO 0.00 0.44 -1.23 1.28 0.86 0.00 0.00 177.93 179.29 1qtt n LEU 62 N -4.75 0.71 -0.02 2.43 4.77 0.24 -2.31 117.00 118.08 1qtt n LEU 62 Ca -0.03 0.28 -0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1qtt n LEU 62 Cb 0.14 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1qtt n LEU 62 CO 0.36 -0.11 -0.03 0.25 -1.33 0.00 0.00 177.39 176.53 1qtt h LEU 63 N 0.00 0.00 0.10 2.23 7.12 0.23 -3.42 115.31 121.57 1qtt h LEU 63 Ca -0.03 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 1qtt h LEU 63 Cb 1.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1qtt h LEU 63 CO 0.01 0.16 -0.05 0.74 -0.13 0.00 0.00 178.44 179.18 1qtt h THR 64 N -0.28 0.87 -5.95 1.05 2.02 0.20 -3.48 112.91 107.34 1qtt h THR 64 Ca 0.00 -1.37 -0.42 0.00 0.77 0.00 0.00 66.41 65.39 1qtt h THR 64 Cb 0.05 1.55 0.10 0.00 -1.74 0.00 0.00 68.15 68.10 1qtt h THR 64 CO 0.00 0.26 -0.70 -1.54 0.37 0.00 0.00 175.52 173.91 1qtt n SER 65 N -4.82 -6.05 0.03 4.18 3.41 0.23 -4.87 113.62 105.73 1qtt n SER 65 Ca -0.07 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1qtt n SER 65 Cb 0.26 -4.77 0.00 0.00 -0.26 0.00 0.00 64.21 59.44 1qtt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qtt n GLN 66 N -4.94 0.00 -2.36 4.33 1.13 -1.26 -5.05 117.38 109.23 1qtt n GLN 66 Ca 0.02 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.70 1qtt n GLN 66 Cb 0.55 -0.49 -0.02 0.00 0.11 0.00 0.00 30.24 30.38 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1qtt s LEU 67 N -6.54 4.13 0.96 1.08 1.02 -1.26 -5.03 118.68 113.04 1qtt s LEU 67 Ca 0.00 2.24 -0.14 0.00 0.02 0.00 0.00 54.13 56.25 1qtt s LEU 67 Cb 0.00 -4.13 0.17 0.00 0.02 0.00 0.00 46.19 42.25 1qtt s LEU 67 CO 0.00 -0.69 1.16 -2.16 0.02 0.00 0.00 176.35 174.68 1qtt s PRO 68 N -2.47 0.74 0.02 1.29 0.04 -1.26 -4.94 135.00 128.41 1qtt s PRO 68 Ca 0.59 0.14 0.29 0.00 0.04 0.00 0.00 61.00 62.06 1qtt s PRO 68 Cb -0.27 -1.81 1.20 0.00 0.04 0.00 0.00 34.50 33.66 1qtt s PRO 68 CO 0.34 -2.44 1.91 -0.11 0.04 0.00 0.00 177.00 176.74 1qtt n LEU 69 N -3.91 0.07 -3.62 -3.56 -0.00 -1.26 -4.71 117.00 100.01 1qtt n LEU 69 Ca 0.09 0.50 -0.08 0.00 -0.00 0.00 0.00 56.01 56.52 1qtt n LEU 69 Cb 0.59 -0.48 -0.06 0.00 -0.00 0.00 0.00 43.42 43.47 1qtt n LEU 69 CO 0.54 -0.01 0.83 -0.32 -0.00 0.00 0.00 177.39 178.43 1qtt s MET 70 N -3.01 0.44 0.18 1.96 1.75 -1.26 -2.95 119.30 116.42 1qtt s MET 70 Ca 0.14 0.36 0.07 0.00 -1.25 0.00 0.00 55.69 55.01 1qtt s MET 70 Cb 0.18 0.21 -0.04 0.00 2.84 0.00 0.00 34.83 38.03 1qtt s MET 70 CO 0.54 -0.09 0.04 -1.58 -0.65 0.00 0.00 175.02 173.28 1qtt s TRP 71 N -0.24 2.92 -0.22 4.11 0.51 -0.75 -3.49 118.94 121.77 1qtt s TRP 71 Ca 0.03 -0.11 -0.03 0.00 -2.12 0.00 0.00 56.10 53.86 1qtt s TRP 71 Cb -0.03 -1.40 0.07 0.00 -0.81 0.00 0.00 33.47 31.30 1qtt s TRP 71 CO -0.05 0.53 0.08 -1.14 -0.51 0.00 0.00 176.95 175.85 1qtt s GLN 72 N -3.08 0.38 -0.23 4.98 2.00 0.57 -2.77 119.66 121.51 1qtt s GLN 72 Ca 0.29 -0.44 -0.32 0.00 -2.00 0.00 0.00 55.36 52.89 1qtt s GLN 72 Cb -0.09 -1.80 -0.09 0.00 0.80 0.00 0.00 33.01 31.83 1qtt s GLN 72 CO 0.20 -0.78 2.12 -0.11 -0.50 0.00 0.00 175.29 176.22 1qtt n LEU 73 N 5.13 2.91 0.00 3.68 7.94 0.92 0.50 117.00 138.09 1qtt n LEU 73 Ca -0.07 0.49 -0.15 0.00 -1.11 0.00 0.00 56.01 55.17 1qtt n LEU 73 Cb 0.46 -1.40 0.04 0.00 0.53 0.00 0.00 43.42 43.05 1qtt n LEU 73 CO 0.10 -0.52 0.23 -1.22 -1.11 0.00 0.00 177.39 174.86 1qtt n TYR 74 N 9.66 -2.21 -1.17 1.96 4.02 -0.22 -4.87 117.16 124.32 1qtt n TYR 74 Ca 0.32 -1.54 -0.17 0.00 -0.01 0.00 0.00 57.90 56.50 1qtt n TYR 74 Cb 0.33 -0.38 0.13 0.00 -0.02 0.00 0.00 39.34 39.39 1qtt n TYR 74 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1qtt n PRO 75 N -1.82 -1.46 0.00 -0.72 -0.04 -1.26 -4.29 135.00 125.40 1qtt n PRO 75 Ca 0.09 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1qtt n PRO 75 Cb 0.43 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1qtt n PRO 75 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qtt n GLU 76 N -2.98 0.00 0.00 0.54 -0.58 -1.26 -3.34 120.64 113.02 1qtt n GLU 76 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1qtt n GLU 76 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1qtt n GLU 77 N 0.00 0.00 -3.59 3.49 2.13 -1.26 -5.18 120.64 116.24 1qtt n GLU 77 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1qtt n GLU 77 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1qtt n GLU 77 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1qtt s ARG 78 N 0.00 1.28 -0.23 5.31 0.52 -1.21 -3.48 118.95 121.14 1qtt s ARG 78 Ca 0.00 -0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 54.48 1qtt s ARG 78 Cb 0.00 0.54 -0.02 0.00 0.52 0.00 0.00 34.95 35.99 1qtt s ARG 78 CO 0.00 -0.54 0.03 0.71 0.02 0.00 0.00 175.30 175.52 1qtt s TYR 79 N -3.81 3.06 -0.33 -0.53 1.51 0.23 -1.06 117.35 116.42 1qtt s TYR 79 Ca 0.04 -0.50 -0.15 0.00 -1.01 0.00 0.00 57.07 55.45 1qtt s TYR 79 Cb -0.00 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1qtt s TYR 79 CO -0.09 -0.34 0.36 1.41 -1.11 0.00 0.00 175.55 175.78 1qtt s MET 80 N 1.40 3.63 0.03 -0.62 -2.45 0.18 0.07 119.30 121.54 1qtt s MET 80 Ca 0.05 -0.35 -0.00 0.00 -1.25 0.00 0.00 55.69 54.13 1qtt s MET 80 Cb -0.15 -3.78 0.01 0.00 1.25 0.00 0.00 34.83 32.16 1qtt s MET 80 CO 0.02 -0.49 0.04 -0.40 1.05 0.00 0.00 175.02 175.24 1qtt n ASP 81 N 5.38 0.01 -0.14 1.11 5.75 -0.46 -0.32 116.55 127.88 1qtt n ASP 81 Ca -0.09 -1.02 0.04 0.00 -0.01 0.00 0.00 54.79 53.71 1qtt n ASP 81 Cb 0.50 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.54 1qtt n ASP 81 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1qtt n ASN 82 N -3.02 0.91 0.00 -1.12 4.13 -1.23 -4.38 115.26 110.55 1qtt n ASN 82 Ca 0.01 -0.96 0.15 0.00 1.68 0.00 0.00 54.58 55.46 1qtt n ASN 82 Cb 0.02 0.59 0.80 0.00 -1.54 0.00 0.00 39.78 39.64 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1qtt n ASN 83 N -0.50 0.00 -0.18 6.41 2.85 -1.26 -4.85 115.26 117.74 1qtt n ASN 83 Ca 0.03 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 54.06 1qtt n ASN 83 Cb 0.16 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.00 1qtt n ASN 83 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qtt n SER 84 N -1.18 -0.84 -4.12 1.20 2.88 -1.26 -5.09 113.62 105.21 1qtt n SER 84 Ca 0.17 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.60 1qtt n SER 84 Cb 0.18 -0.24 -0.11 0.00 -0.75 0.00 0.00 64.21 63.29 1qtt n SER 84 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1qtt s ARG 85 N -2.45 0.68 -0.19 -1.46 1.81 -1.26 -5.05 118.95 111.03 1qtt s ARG 85 Ca 0.00 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 52.95 1qtt s ARG 85 Cb 0.00 -0.21 0.04 0.00 -0.45 0.00 0.00 34.95 34.33 1qtt s ARG 85 CO 0.00 0.00 -0.11 -1.17 -0.68 0.00 0.00 175.30 173.35 1qtt s LEU 86 N -2.39 2.16 -0.08 2.53 0.20 -1.26 -1.35 118.68 118.48 1qtt s LEU 86 Ca 0.02 -0.82 -0.15 0.00 0.69 0.00 0.00 54.13 53.87 1qtt s LEU 86 Cb -0.01 -1.21 -0.05 0.00 -0.43 0.00 0.00 46.19 44.49 1qtt s LEU 86 CO -0.03 -0.13 0.38 0.26 -0.29 0.00 0.00 176.35 176.54 1qtt s TRP 87 N 1.42 3.59 -0.31 5.38 0.52 0.11 -3.97 118.94 125.68 1qtt s TRP 87 Ca -0.00 0.83 -0.18 0.00 0.02 0.00 0.00 56.10 56.77 1qtt s TRP 87 Cb -0.16 -2.36 -0.02 0.00 -1.15 0.00 0.00 33.47 29.79 1qtt s TRP 87 CO -0.09 0.40 0.49 -1.14 0.02 0.00 0.00 176.95 176.64 1qtt s GLN 88 N -0.17 3.81 -0.84 4.98 0.74 1.09 0.74 119.66 130.01 1qtt s GLN 88 Ca 0.22 0.01 -0.21 0.00 0.05 0.00 0.00 55.36 55.42 1qtt s GLN 88 Cb -0.15 -3.74 -0.19 0.00 1.10 0.00 0.00 33.01 30.03 1qtt s GLN 88 CO 0.09 -0.50 2.35 -0.89 -0.55 0.00 0.00 175.29 175.79 1qtt n ILE 89 N 5.30 -0.00 -0.23 -2.34 2.08 -1.23 -0.41 119.36 122.53 1qtt n ILE 89 Ca -0.05 -0.50 0.03 0.00 0.56 0.00 0.00 62.75 62.79 1qtt n ILE 89 Cb 0.49 -1.47 0.15 0.00 -0.75 0.00 0.00 39.64 38.06 1qtt n ILE 89 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1qtt h GLN 90 N 12.52 0.25 -1.37 0.38 -0.00 0.21 -3.44 115.11 123.66 1qtt h GLN 90 Ca 0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 58.65 58.75 1qtt h GLN 90 Cb 1.05 -0.06 -0.29 0.00 0.00 0.00 0.00 27.48 28.18 1qtt h GLN 90 CO 1.18 0.16 0.64 -3.38 0.00 0.00 0.00 178.83 177.43 1qtt s HIS 91 N -6.08 -0.30 -0.16 3.99 -3.43 -1.14 -4.96 115.29 103.21 1qtt s HIS 91 Ca -0.13 0.72 -0.03 0.00 -0.80 0.00 0.00 55.06 54.82 1qtt s HIS 91 Cb 0.20 0.41 0.05 0.00 -1.43 0.00 0.00 32.58 31.81 1qtt s HIS 91 CO 0.75 -0.14 0.04 -1.58 -2.00 0.00 0.00 174.74 171.80 1qtt s HIS 92 N 0.17 0.79 0.16 0.38 2.46 -1.26 0.80 115.29 118.79 1qtt s HIS 92 Ca 0.05 -0.60 -0.03 0.00 0.47 0.00 0.00 55.06 54.94 1qtt s HIS 92 Cb -0.05 -0.91 0.01 0.00 -0.13 0.00 0.00 32.58 31.50 1qtt s HIS 92 CO -0.10 -0.53 0.26 1.47 -2.47 0.00 0.00 174.74 173.37 1qtt n LEU 93 N 5.11 0.00 -4.52 8.88 -0.00 -1.10 -4.80 117.00 120.57 1qtt n LEU 93 Ca -0.08 -1.17 -0.35 0.00 -0.00 0.00 0.00 56.01 54.41 1qtt n LEU 93 Cb 0.48 1.32 -0.11 0.00 -0.00 0.00 0.00 43.42 45.10 1qtt n LEU 93 CO 0.12 -0.32 -0.29 -0.32 -0.00 0.00 0.00 177.39 176.59 1qtt s MET 94 N -2.21 3.77 -0.13 1.47 -2.45 -1.26 -0.98 119.30 117.50 1qtt s MET 94 Ca 0.10 -0.44 0.02 0.00 -1.25 0.00 0.00 55.69 54.12 1qtt s MET 94 Cb -0.01 -3.19 0.01 0.00 1.25 0.00 0.00 34.83 32.89 1qtt s MET 94 CO 0.07 0.07 -0.18 0.08 1.05 0.00 0.00 175.02 176.11 1qtt s VAL 95 N 0.90 1.80 -1.21 10.11 1.01 0.37 -4.69 120.40 128.69 1qtt s VAL 95 Ca 0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1qtt s VAL 95 Cb -0.14 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.69 1qtt s VAL 95 CO 0.02 0.50 0.41 0.54 0.00 0.00 0.00 175.10 176.58 1qtt n ARG 96 N 4.23 -3.17 -1.24 2.72 5.12 -1.26 0.20 116.66 123.26 1qtt n ARG 96 Ca -0.19 0.46 -0.05 0.00 -1.93 0.00 0.00 57.85 56.13 1qtt n ARG 96 Cb 0.51 -5.14 -0.02 0.00 -1.16 0.00 0.00 32.46 26.65 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qtt n GLY 97 N -1.10 0.70 3.06 -0.13 0.00 -1.26 -5.02 105.19 101.44 1qtt n GLY 97 Ca -0.03 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 1qtt n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtt s VAL 98 N -2.19 1.42 -0.46 1.61 1.01 0.53 -5.08 120.40 117.24 1qtt s VAL 98 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 1qtt s VAL 98 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1qtt s VAL 98 CO 0.00 0.42 1.54 -1.10 0.00 0.00 0.00 175.10 175.96 1qtt s GLN 99 N 0.76 3.34 -0.39 2.72 1.11 -1.26 0.14 119.66 126.08 1qtt s GLN 99 Ca -0.12 0.87 -0.12 0.00 0.01 0.00 0.00 55.36 56.00 1qtt s GLN 99 Cb -0.16 -4.13 0.04 0.00 -1.01 0.00 0.00 33.01 27.75 1qtt s GLN 99 CO 0.02 -1.86 0.24 -2.00 0.01 0.00 0.00 175.29 171.70 1qtt s GLU 100 N 5.48 2.81 -0.24 2.91 2.12 -0.15 -0.72 118.70 130.92 1qtt s GLU 100 Ca 0.63 -1.16 -0.08 0.00 0.36 0.00 0.00 54.97 54.73 1qtt s GLU 100 Cb -0.15 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.41 1qtt s GLU 100 CO 0.29 -0.77 0.08 -1.17 -0.54 0.00 0.00 175.26 173.15 1qtt s LEU 101 N 1.55 3.56 -0.27 2.70 0.20 0.67 -2.70 118.68 124.39 1qtt s LEU 101 Ca 0.02 -0.13 -0.12 0.00 0.69 0.00 0.00 54.13 54.59 1qtt s LEU 101 Cb -0.20 -1.95 -0.05 0.00 -0.43 0.00 0.00 46.19 43.57 1qtt s LEU 101 CO 0.06 0.01 0.23 -0.76 -0.29 0.00 0.00 176.35 175.60 1qtt s LEU 102 N 1.37 4.03 -0.16 -0.68 1.43 0.24 0.23 118.68 125.14 1qtt s LEU 102 Ca 0.05 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1qtt s LEU 102 Cb -0.15 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1qtt s LEU 102 CO 0.04 -0.07 -0.03 -0.76 0.23 0.00 0.00 176.35 175.76 1qtt s LEU 103 N 1.79 3.28 -0.16 1.79 1.43 -0.73 0.21 118.68 126.29 1qtt s LEU 103 Ca 0.09 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1qtt s LEU 103 Cb -0.16 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1qtt s LEU 103 CO 0.10 0.15 -0.16 -0.75 0.23 0.00 0.00 176.35 175.92 1qtt s LYS 104 N 0.47 3.15 -0.22 1.70 2.36 0.45 0.62 119.74 128.26 1qtt s LYS 104 Ca -0.03 -0.77 -0.10 0.00 -2.55 0.00 0.00 55.97 52.52 1qtt s LYS 104 Cb -0.14 -2.62 -0.05 0.00 -1.05 0.00 0.00 37.83 33.97 1qtt s LYS 104 CO 0.03 -0.06 0.13 -1.17 1.55 0.00 0.00 175.35 175.83 1qtt s LEU 105 N 0.98 4.03 0.17 5.43 2.96 0.88 0.35 118.68 133.48 1qtt s LEU 105 Ca -0.02 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1qtt s LEU 105 Cb -0.15 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1qtt s LEU 105 CO -0.03 0.10 0.32 -0.76 -1.32 0.00 0.00 176.35 174.65 1qtt s LEU 106 N 0.85 4.31 -0.16 -0.68 1.02 -1.25 -2.77 118.68 119.99 1qtt s LEU 106 Ca 0.07 0.22 -0.29 0.00 0.02 0.00 0.00 54.13 54.15 1qtt s LEU 106 Cb -0.13 -2.98 -0.02 0.00 0.02 0.00 0.00 46.19 43.09 1qtt s LEU 106 CO 0.03 0.02 1.27 -2.16 0.02 0.00 0.00 176.35 175.52 1qtt s PRO 107 N -3.32 4.23 -1.03 1.29 0.04 -1.26 -4.85 135.00 130.11 1qtt s PRO 107 Ca 0.35 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 1qtt s PRO 107 Cb -0.11 -3.77 0.05 0.00 0.04 0.00 0.00 34.50 30.71 1qtt s PRO 107 CO 0.29 -0.71 1.46 0.34 0.04 0.00 0.00 177.00 178.42 1qtt s ASP 108 N 2.01 6.51 0.00 6.66 2.15 -1.26 -4.70 116.67 128.04 1qtt s ASP 108 Ca 0.55 -1.49 0.00 0.00 0.43 0.00 0.00 52.55 52.04 1qtt s ASP 108 Cb -0.22 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 1qtt s ASP 108 CO 0.15 -1.49 0.00 -0.67 -0.17 0.00 0.00 175.17 172.99 1qtt n ASP 109 N 8.85 0.00 -1.32 -0.34 -0.08 -1.26 -5.15 116.55 117.25 1qtt n ASP 109 Ca 0.33 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.76 1qtt n ASP 109 Cb 0.51 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.89 1qtt n ASP 109 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1qtt n ARG 110 N 0.00 -2.83 -3.50 -0.67 1.74 -1.26 -4.71 116.66 105.43 1qtt n ARG 110 Ca 0.00 2.29 -0.42 0.00 -0.77 0.00 0.00 57.85 58.95 1qtt n ARG 110 Cb 0.00 -3.40 -0.09 0.00 -1.02 0.00 0.00 32.46 27.94 1qtt n ARG 110 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1qtt s SER 111 N -6.90 5.94 0.74 0.55 0.01 -1.26 -5.02 113.70 107.76 1qtt s SER 111 Ca 0.00 -1.21 -0.11 0.00 1.31 0.00 0.00 55.95 55.94 1qtt s SER 111 Cb 0.00 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.16 1qtt s SER 111 CO 0.00 -0.53 1.08 -2.16 0.41 0.00 0.00 173.24 172.04 1qtt s PRO 112 N 1.58 2.56 0.00 12.44 0.04 -1.26 -5.05 135.00 145.31 1qtt s PRO 112 Ca 0.03 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1qtt s PRO 112 Cb -0.22 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1qtt s PRO 112 CO 0.06 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1qtt n GLY 113 N -2.04 3.02 3.33 0.56 0.00 -1.26 -4.99 105.19 103.81 1qtt n GLY 113 Ca 0.07 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1qtt n GLY 113 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1qtt n ILE 114 N 0.00 3.37 -3.10 -0.61 0.13 -1.26 -4.91 119.36 112.98 1qtt n ILE 114 Ca 0.00 -3.34 -0.42 0.00 -1.10 0.00 0.00 62.75 57.89 1qtt n ILE 114 Cb 0.00 -2.39 -0.07 0.00 -0.84 0.00 0.00 39.64 36.34 1qtt n ILE 114 CO 0.00 0.00 0.00 -2.28 2.80 0.00 0.00 176.55 177.07 1qtt s HIS 115 N 4.99 3.10 0.29 9.51 5.65 -1.26 -5.02 115.29 132.55 1qtt s HIS 115 Ca 0.54 0.15 -0.29 0.00 0.25 0.00 0.00 55.06 55.71 1qtt s HIS 115 Cb 0.07 -3.27 -0.13 0.00 -1.18 0.00 0.00 32.58 28.06 1qtt s HIS 115 CO 0.05 -0.77 1.19 2.89 -0.65 0.00 0.00 174.74 177.45 1qtt n ARG 116 N 6.19 1.73 0.00 2.88 -4.01 -1.26 -5.26 116.66 116.94 1qtt n ARG 116 Ca -0.01 0.61 0.00 0.00 -1.04 0.00 0.00 57.85 57.41 1qtt n ARG 116 Cb 0.48 -2.11 0.00 0.00 -3.04 0.00 0.00 32.46 27.79 1qtt n ARG 116 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19